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molybdopterin

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1368026

	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	6

formula

C₁₀H₁₁N₅O₆PS₂

charge

-3

mass

392.32

reference

chebi:58698

InChIKey

HPEUEJRPDGMIMY-IFQPEPLCSA-K

InChI

InChI=1S/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/p-3/t2-,3+,9-/m1/s1

SMILES

[CH2:1]([C@@H:2]1[C:5]([SH:23])=[C:6]([SH:24])[C@H:3]2[C@H:9]([NH:13][c:7]3[c:4]([c:8]([OH:16])[n:15][c:10](=[NH:11])[nH:14]3)[NH:12]2)[O:21]1)[O:20][P:22]([OH:17])([OH:18])=[O:19]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-947496 reactomeM:R-ALL-947496 CHEBI:58698 chebi:58698	molybdopterin [(5aR,8R,9aR)-2-amino-4-oxo-6-sulfanyl-7-sulfido-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl phosphate molybdopterin(3-)
bigg.metabolite:mpt biggM:mpt sabiork.compound:8271 sabiorkM:8271 vmhM:M02488 vmhM:M02488 vmhmetabolite:M02488 vmhmetabolite:M02488	Molybdopterin
kegg.compound:C05924 keggC:C05924	Molybdopterin H2Dtpp-mP Pyranopterin
vmhM:M02490 vmhM:M02490 vmhmetabolite:M02490 vmhmetabolite:M02490	Monofucosyllactoisooctaosylceramide
vmhM:M02491 vmhM:M02491 vmhmetabolite:M02491 vmhmetabolite:M02491	Monosialylgalactosylgloboside
metacyc.compound:CPD-4 metacycM:CPD-4	molybdopterin H2Dtpp-mP MPT [(5aR,8R,9aR)-2-amino-4-oxo-6,7-bis(sulfanyl)-4,5,5a,8,9a,10-hexahydro-1H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate [(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate ene-dithiol pyranopterin pyranopterin-dithiolate
reactome:R-ALL-38025 reactomeM:R-ALL-38025 CHEBI:44074 chebi:44074	molybdopterin H2Dtpp-mP Molybdopterin Pyranopterin [(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate dtpp
chebi:44067 chebi:6969 biggM:M_mpt keggC:M_C05924	secondary/obsolete/fantasy identifier